1-(2-bromo-3-methylphenyl)-2-ethoxyethanamine

C11H16BrNO — CID 107985181

IUPAC1-(2-bromo-3-methylphenyl)-2-ethoxyethanamine
SMILESCCOCC(N)c1cccc(C)c1Br
InChIInChI=1S/C11H16BrNO/c1-3-14-7-10(13)9-6-4-5-8(2)11(9)12/h4-6,10H,3,7,13H2,1-2H3
InChIKeyUMZMJENAUPBULW-UHFFFAOYSA-N
MW258.16 g/mol
LogP2.79
Rot. Bonds4

About 1-(2-bromo-3-methylphenyl)-2-ethoxyethanamine

1-(2-bromo-3-methylphenyl)-2-ethoxyethanamine (PubChem CID 107985181) has the molecular formula C11H16BrNO and a molecular weight of 258.16 g/mol. Its IUPAC name is 1-(2-bromo-3-methylphenyl)-2-ethoxyethanamine.

Molecular Properties

Compound Name1-(2-bromo-3-methylphenyl)-2-ethoxyethanamine
PubChem CID107985181
Molecular FormulaC11H16BrNO
Molecular Weight258.16 g/mol
Exact Mass257.04
IUPAC Name1-(2-bromo-3-methylphenyl)-2-ethoxyethanamine
SMILESCCOCC(N)c1cccc(C)c1Br
InChIInChI=1S/C11H16BrNO/c1-3-14-7-10(13)9-6-4-5-8(2)11(9)12/h4-6,10H,3,7,13H2,1-2H3
InChIKeyUMZMJENAUPBULW-UHFFFAOYSA-N
XLogP2.79
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-2-chlorophenyl)-2-ethoxyethanamine
CID 105007829
1-(2-bromo-3-methylphenyl)-3-methylbutan-1-amine
CID 107984716
(3R)-3-amino-3-(2-bromo-3-methylphenyl)propan-1-ol
CID 130955641
1-(2-bromo-3-methylphenyl)-2-methylbutan-1-amine
CID 107985251
1-(2-bromo-3-methylphenyl)but-3-yn-1-amine
CID 107984695
1-(2-bromo-3-methylphenyl)-3-methylbut-3-en-1-amine
CID 107985156
(1R)-1-(2-bromo-3-methylphenyl)ethanamine
CID 96955711
1-(2,3-dibromophenyl)-2-methoxyethanamine
CID 130043522
1-(2-bromo-3-methylphenyl)-2-(furan-2-yl)ethanamine
CID 107985336
1-(3-bromo-2-methylphenyl)-2-propoxyethanamine
CID 105008530
2-(5-bromo-2-methoxyphenyl)-1-(2-bromo-3-methylphenyl)ethanamine
CID 107984787
(1R)-1-(2-bromo-6-methylphenyl)propan-1-amine
CID 130632394

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-methylphenyl)-2-ethoxyethanamine?
The IUPAC name of 1-(2-bromo-3-methylphenyl)-2-ethoxyethanamine (CID 107985181) is 1-(2-bromo-3-methylphenyl)-2-ethoxyethanamine.
What is the SMILES notation for 1-(2-bromo-3-methylphenyl)-2-ethoxyethanamine?
The canonical SMILES for 1-(2-bromo-3-methylphenyl)-2-ethoxyethanamine is CCOCC(N)c1cccc(C)c1Br.
What is the InChIKey of 1-(2-bromo-3-methylphenyl)-2-ethoxyethanamine?
The InChIKey is UMZMJENAUPBULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO/c1-3-14-7-10(13)9-6-4-5-8(2)11(9)12/h4-6,10H,3,7,13H2,1-2H3.
What are the key properties of 1-(2-bromo-3-methylphenyl)-2-ethoxyethanamine?
1-(2-bromo-3-methylphenyl)-2-ethoxyethanamine has a molecular weight of 258.16 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3-methylphenyl)-2-ethoxyethanamine is sourced from PubChem (CID 107985181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).